Information card for entry 1502858

Structure parameters

• Formula: C12 H19 N O2
• Calculated formula: C12 H19 N O2
• SMILES: O=C1N2[C@]3(CC1)[C@H]([C@H](O)CC2)CCCC3.O=C1N2[C@@]3(CC1)[C@@H]([C@@H](O)CC2)CCCC3
• Title of publication: A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.
• Authors of publication: Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1244 - 1247
• a: 15.0518 ± 0.0019 Å
• b: 7.8121 ± 0.001 Å
• c: 10.9784 ± 0.0014 Å
• α: 90°
• β: 127.009 ± 0.002°
• γ: 90°
• Cell volume: 1030.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No